Summary

IMPPAT Phytochemical identifier: IMPHY015141

Phytochemical name: 11-Oxomanoyl oxide

Synonymous chemical names:
11-oxomanoyl oxide

External chemical identifiers:
CID:14219445

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Chemical structure information

SMILES:
C=CC1(C)CC(=O)C2C(O1)(C)CCC1C2(C)CCCC1(C)C

InChI:
InChI=1S/C20H32O2/c1-7-18(4)13-14(21)16-19(5)11-8-10-17(2,3)15(19)9-12-20(16,6)22-18/h7,15-16H,1,8-13H2,2-6H3

InChIKey:
ZKHYAMNFKKHLJM-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CC=O)CCO6)C)CCCC6C)CCCC6C)C

Functional groups:
C=CC, CC(C)=O, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCOC2CCC3CCCCC3C12

Scaffold Graph/Node level:
OC1CCOC2CCC3CCCCC3C12

Scaffold Graph level:
CC1CCCC2CCC3CCCCC3C12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Labdane diterpenoids

NP-Likeness score: 2.993

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Chemical structure download